REMARK  Name = BDB059132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.162   0.618  -0.207  0.00  0.00    +0.156 A 
ATOM      2  C   LIG    1       -1.881   0.545   0.362  0.00  0.00    +0.148 A 
ATOM      3  N   LIG    1       -1.149   1.430   1.124  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -0.014   0.805   1.373  0.00  0.00    +0.203 A 
ATOM      5  N   LIG    1        0.023  -0.433   0.793  0.00  0.00    -0.286 N 
ATOM      6  C   LIG    1       -1.170  -0.622   0.147  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -1.561  -1.700  -0.551  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -2.805  -1.522  -1.043  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -3.611  -0.445  -0.915  0.00  0.00    -0.218 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.085  -1.420   0.840  0.00  0.00    +0.253 C 
ATOM     11  C   LIG    1        1.757  -1.652  -0.524  0.00  0.00    +0.195 C 
ATOM     12  C   LIG    1        3.037  -0.842  -0.396  0.00  0.00    +0.177 C 
ATOM     13  C   LIG    1        3.372  -1.037   1.076  0.00  0.00    +0.162 C 
ATOM     14  O   LIG    1        2.108  -0.994   1.771  0.00  0.00    -0.347 OA
BRANCH  11  15
ATOM     15  O   LIG    1        2.114  -3.037  -0.713  0.00  0.00    -0.385 OA
ATOM     16  H   LIG    1        1.283  -3.524  -0.870  0.00  0.00    +0.210 HD
ENDBRANCH  11  15
BRANCH  12  17
ATOM     17  O   LIG    1        4.063  -1.315  -1.259  0.00  0.00    -0.386 OA
ATOM     18  H   LIG    1        3.896  -2.276  -1.363  0.00  0.00    +0.210 HD
ENDBRANCH  12  17
BRANCH  13  19
ATOM     19  C   LIG    1        4.386  -0.063   1.685  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  S   LIG    1        3.951   1.709   1.536  0.00  0.00    -0.161 S 
ATOM     21  C   LIG    1        5.040   2.163   0.161  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   5  10
BRANCH   1  23
ATOM     22  C   LIG    1       -5.156   2.146  -0.382  0.00  0.00    +0.242 C 
ATOM     23  N   LIG    1       -3.907   1.779   0.006  0.00  0.00    -0.265 N 
ATOM     24  H   LIG    1       -3.462   2.463   0.611  0.00  0.00    +0.157 HD
ATOM     25  O   LIG    1       -5.626   3.201   0.049  0.00  0.00    -0.270 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -7.255   1.488  -1.460  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -5.936   1.303  -1.321  0.00  0.00    +0.060 C 
ENDBRANCH  22  27
ENDBRANCH   1  23
TORSDOF 7